SCHEMBL1806293

SCHEMBL1806293

O=C(O)N1C[C@@H]2CCNc3c(Cl)cccc3[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F12 P00748 8/20 0.39
HSD11B1 P28845 2/20 0.39
F2 P00734 1/20 0.38
NOTUM Q6P988 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
LIPE Q05469 1/20 0.33
CNR1 P21554 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RORC P51449 1/20 0.33
CCR5 P51681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1806296 1.00 F12 (0.39) F12HSD11B1F2NOTUMMAPT
SCHEMBL1806294 1.00 F12 (0.39) F12HSD11B1F2NOTUMMAPT
SCHEMBL1807006 0.85 HSD11B1 (0.35) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1807008 0.85 HSD11B1 (0.35) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1807004 0.85 HSD11B1 (0.35) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1807263 0.79 HCRTR1 (0.36) HSD11B1RAB9A
SCHEMBL1807266 0.79 HCRTR1 (0.36) HSD11B1RAB9A
SCHEMBL1807264 0.79 HCRTR1 (0.36) HSD11B1RAB9A
SCHEMBL1807226 0.79 CHRNB2 (0.39) F12HSD11B1F2CHRNB2CHRNB4
SCHEMBL1807232 0.79 CHRNB2 (0.39) F12HSD11B1F2CHRNB2CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C F12 527/4885HSD11B1 980/4885F2 1486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.